[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene

C14H16O — CID 89247777

IUPAC[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C(/C)OC)c1ccccc1
InChIInChI=1S/C14H16O/c1-4-5-11-14(12(2)15-3)13-9-7-6-8-10-13/h4-11H,1H2,2-3H3/b11-5-,14-12-
InChIKeyCQGJRTWLTNCUSD-FAINUNLVSA-N
MW200.28 g/mol
LogP3.81
Rot. Bonds4

About [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene

[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene (PubChem CID 89247777) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Name[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
PubChem CID89247777
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C(/C)OC)c1ccccc1
InChIInChI=1S/C14H16O/c1-4-5-11-14(12(2)15-3)13-9-7-6-8-10-13/h4-11H,1H2,2-3H3/b11-5-,14-12-
InChIKeyCQGJRTWLTNCUSD-FAINUNLVSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene?
The IUPAC name of [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene (CID 89247777) is [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene is C=C/C=C\C(=C(/C)OC)c1ccccc1.
What is the InChIKey of [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene?
The InChIKey is CQGJRTWLTNCUSD-FAINUNLVSA-N. The full InChI is InChI=1S/C14H16O/c1-4-5-11-14(12(2)15-3)13-9-7-6-8-10-13/h4-11H,1H2,2-3H3/b11-5-,14-12-.
What are the key properties of [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene?
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene has a molecular weight of 200.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 89247777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).